[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-oxo-2-(4-phenoxyanilino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenoxyanilino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-2-(4-phenoxyanilino)ethyl] ester Formula: C27H27ClN2O6S MolecularWeight: 543.03108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H27ClN2O6S/c28-24-15-10-20(18-25(24)37(33,34)30-16-6-1-2-7-17-30)27(32)35-19-26(31)29-21-11-13-23(14-12-21)36-22-8-4-3-5-9-22/h3-5,8-15,18H,1-2,6-7,16-17,19H2,(H,29,31)